2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine

C48H52N10 — CID 176843193

IUPAC2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(C(C)(C)C)nc(C(C)(C)C)n5)c4)n3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C48H52N10/c1-45(2,3)41-53-38(54-42(57-41)46(4,5)6)31-23-21-30(22-24-31)37-50-36(29-18-14-13-15-19-29)51-39(52-37)33-26-32(35-20-16-17-25-49-35)27-34(28-33)40-55-43(47(7,8)9)58-44(56-40)48(10,11)12/h13-28H,1-12H3
InChIKeyXAGPLINLNDWBQY-UHFFFAOYSA-N
MW769.01 g/mol
LogP10.83
Rot. Bonds6

About 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine

2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine (PubChem CID 176843193) has the molecular formula C48H52N10 and a molecular weight of 769.01 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
PubChem CID176843193
Molecular FormulaC48H52N10
Molecular Weight769.01 g/mol
Exact Mass768.44
IUPAC Name2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(C(C)(C)C)nc(C(C)(C)C)n5)c4)n3)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C48H52N10/c1-45(2,3)41-53-38(54-42(57-41)46(4,5)6)31-23-21-30(22-24-31)37-50-36(29-18-14-13-15-19-29)51-39(52-37)33-26-32(35-20-16-17-25-49-35)27-34(28-33)40-55-43(47(7,8)9)58-44(56-40)48(10,11)12/h13-28H,1-12H3
InChIKeyXAGPLINLNDWBQY-UHFFFAOYSA-N
XLogP10.83
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.01
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2,4-ditert-butyl-6-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842898
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine?
The IUPAC name of 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine (CID 176843193) is 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(C(C)(C)C)nc(C(C)(C)C)n5)c4)n3)cc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine?
The InChIKey is XAGPLINLNDWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N10/c1-45(2,3)41-53-38(54-42(57-41)46(4,5)6)31-23-21-30(22-24-31)37-50-36(29-18-14-13-15-19-29)51-39(52-37)33-26-32(35-20-16-17-25-49-35)27-34(28-33)40-55-43(47(7,8)9)58-44(56-40)48(10,11)12/h13-28H,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine?
2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine has a molecular weight of 769.01 g/mol, XLogP of 10.83, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine is sourced from PubChem (CID 176843193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).